Thesis--University of Western Ontario, 1999. / eContent provider-neutral record in process. Description based on print version record. Includes bibliographical references.

Thesis (Ph. D.)--University of Iowa, 1998. / eContent provider-neutral record in process. Description based on print version record. Includes bibliographical references.

Thesis--University of Western Ontario, 1999. / Includes bibliographical references.

Thesis (Ph. D.)--University of Iowa, 1998. / Includes bibliographical references.

published_or_final_version / Chemistry / Doctoral / Doctor of Philosophy

published_or_final_version / Dentistry / Master / Master of Dental Surgery

No description available.

Sze Chun Ngai. / Thesis (M.Phil.)--Chinese University of Hong Kong, 2003. / Includes bibliographical references (leaves 71-75). / Abstracts in English and Chinese. / ABSTRACT --- p.iii / ACKNOWLEDGEMENTS --- p.vii / Chapter CHAPTER ONE: --- INTRODUCTION AND BACKGROUND --- p.1 / Chapter 1.1 --- Introduction --- p.1 / Chapter 1.2 --- Definitions of Hydrogen Bonds (H-bonds) --- p.1 / Chapter 1.3 --- Experimental Evidences of Hydrogen Bonding --- p.3 / Chapter 1.4 --- Three-Centered H-bonds --- p.5 / Chapter 1.5 --- Scope of the Thesis --- p.6 / Chapter CHAPTER TWO: --- THEORY AND COMPUTATIONAL DETAILS --- p.8 / Chapter 2.1 --- Introduction --- p.8 / Chapter 2.2 --- Theory --- p.9 / Chapter 2.2.1 --- Density Functional Theory (DFT) --- p.9 / Chapter 2.2.2 --- Chemical Shifts --- p.10 / Chapter 2.2.3 --- Spin-Spin Coupling Constants --- p.11 / Chapter 2.2.4 --- Natural Bond Orbital (NBO) Analysis --- p.13 / Chapter 2.3 --- Methodology --- p.16 / Chapter 2.3.1 --- Geometry Optimization --- p.16 / Chapter 2.3.2 --- Nuclear Magnetic Resonance (NMR) Properties --- p.21 / Chapter 2.3.3 --- NBO Analysis --- p.22 / Chapter 2.4 --- Geometry Optimization --- p.23 / Chapter 2.5 --- Summary --- p.29 / Chapter CHAPTER THREE: --- RESULTS AND DISCUSSION --- p.30 / Chapter 3.1 --- Introduction --- p.30 / Chapter 3.2 --- Comparison of Computed Results with X-ray Crystallography Data --- p.30 / Chapter 3.3 --- NMR properties --- p.33 / Chapter 3.3.1 --- Chemical Shifts --- p.33 / Chapter 3.3.2 --- Spin-Spin Coupling Constants --- p.38 / Chapter 3.4 --- Natural Bond Orbital (NBO) Analysis --- p.41 / Chapter 3.4.1 --- Determination of Three-centered H-bonds --- p.41 / Chapter 3.4.2 --- NBO Analysis of Different Interaction of Dimer Units --- p.43 / Chapter 3.4.3 --- Detailed Analysis of CC and CG Dimers --- p.64 / Chapter 3.5 --- Summary --- p.68 / Chapter CHAPTER FOUR: --- CONCLUDING REMARKS --- p.69 / REFERENCES --- p.71 / APPENDIX --- p.76

Thesis (M.D.S.)--University of Hong Kong, 2000. / Includes bibliographical references (leaves 137-152) Also available in print.

µL